3-(1,3-benzodioxol-5-yl)-4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methoxyethyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methoxyethyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methoxyethyl)-5-(methylthio)-1,2,4-triazole Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCN1C(=NN=C1SC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O3S/c1-17-6-5-16-12(14-15-13(16)20-2)9-3-4-10-11(7-9)19-8-18-10/h3-4,7H,5-6,8H2,1-2H3